UCSF

ZINC01020528

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2004 27 Yes

Other Names:

MFCD05881494

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.61 -0.89 -19.25 2 5 0 70 380.448 6
Lo Low (pH 4.5-6) 2.61 -0.7 -47.85 3 5 1 71 381.456 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )